2JGF
Crystal structure of mouse acetylcholinesterase inhibited by non-aged fenamiphos
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I711 |
Synchrotron site | MAX II |
Beamline | I711 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-02-02 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.060, 111.730, 224.460 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.730 - 2.500 |
R-factor | 0.215 |
Rwork | 0.214 |
R-free | 0.25300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1j06 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.315 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | CCP4 |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.630 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.080 | 0.480 |
Number of reflections | 69500 | |
<I/σ(I)> | 20.2 | 4.6 |
Completeness [%] | 99.6 | 98.8 |
Redundancy | 7.4 | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 28% PEG750MME, 0.1M HEPES PH7.0, pH 7.00 |